CID 1268067

30725-00-9

Structural Information

Molecular Formula
C8H12O5
SMILES
CC1(O[C@@H]2[C@H](OC(=O)[C@@H]2O1)CO)C
InChI
InChI=1S/C8H12O5/c1-8(2)12-5-4(3-9)11-7(10)6(5)13-8/h4-6,9H,3H2,1-2H3/t4-,5-,6-/m1/s1
InChIKey
NHHKFJCWLPPNCN-HSUXUTPPSA-N
Compound name
(3aR,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

137
Patents

188.06847 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07575 135.5
[M+Na]+ 211.05769 144.3
[M+NH4]+ 206.10229 144.0
[M+K]+ 227.03163 144.0
[M-H]- 187.06119 138.4
[M+Na-2H]- 209.04314 136.3
[M]+ 188.06792 137.5
[M]- 188.06902 137.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe